sodium (E)-1-methoxyprop-1-en-1-olate

C4H7NaO2 — CID 134907816

IUPACsodium (E)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OC.[Na+]
InChIInChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;
InChIKeyMAMVRYHSCASDKP-BJILWQEISA-M
MW110.09 g/mol
LogP-3.14
Rot. Bonds1

About sodium (E)-1-methoxyprop-1-en-1-olate

sodium (E)-1-methoxyprop-1-en-1-olate (PubChem CID 134907816) has the molecular formula C4H7NaO2 and a molecular weight of 110.09 g/mol. Its IUPAC name is sodium (E)-1-methoxyprop-1-en-1-olate.

Molecular Properties

Compound Namesodium (E)-1-methoxyprop-1-en-1-olate
PubChem CID134907816
Molecular FormulaC4H7NaO2
Molecular Weight110.09 g/mol
Exact Mass110.03
IUPAC Namesodium (E)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OC.[Na+]
InChIInChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;
InChIKeyMAMVRYHSCASDKP-BJILWQEISA-M
XLogP-3.14
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.09
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Propene, 1,1-dimethoxy-
CID 11768513
lithium (Z)-1-methoxyprop-1-en-1-olate
CID 23667476
CID 59601808
CID 59601808
sodium (Z)-1-methoxyprop-1-en-1-olate
CID 134975586
(Z)-1-methoxyprop-1-en-1-olate
CID 21343834
1-Methoxyprop-1-en-1-olate
CID 73782179
Sodium;1,1-dimethoxyprop-1-ene;hydride
CID 174470239
lithium (E)-1-methoxyprop-1-en-1-olate
CID 23689204
Bromozinc(1+);1-methoxyprop-1-en-1-olate
CID 85442673
CID 101027909
CID 101027909
CID 101066493
CID 101066493
Bromozinc(1+) 1-(methoxycarbonyl)ethan-1-ide
CID 138402834

Frequently Asked Questions

What is the IUPAC name of sodium (E)-1-methoxyprop-1-en-1-olate?
The IUPAC name of sodium (E)-1-methoxyprop-1-en-1-olate (CID 134907816) is sodium (E)-1-methoxyprop-1-en-1-olate.
What is the SMILES notation for sodium (E)-1-methoxyprop-1-en-1-olate?
The canonical SMILES for sodium (E)-1-methoxyprop-1-en-1-olate is C/C=C(\[O-])OC.[Na+].
What is the InChIKey of sodium (E)-1-methoxyprop-1-en-1-olate?
The InChIKey is MAMVRYHSCASDKP-BJILWQEISA-M. The full InChI is InChI=1S/C4H8O2.Na/c1-3-4(5)6-2;/h3,5H,1-2H3;/q;+1/p-1/b4-3+;.
What are the key properties of sodium (E)-1-methoxyprop-1-en-1-olate?
sodium (E)-1-methoxyprop-1-en-1-olate has a molecular weight of 110.09 g/mol, XLogP of -3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (E)-1-methoxyprop-1-en-1-olate is sourced from PubChem (CID 134907816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).